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. 2017 Mar 16;2(3):966–980. doi: 10.1021/acsomega.6b00523

Table 6. Residue-Wise ΔGbind Contribution of Ligands with h-telo 12-mer Quadruplexa.

residues ALI-C3 BBZ-ARO BBZ-AROCH2 BMSG-SH-3
T1       –4.48
A2       –4.63
G3       –2.21
G5 –9.25 –8.56 –6.91  
T6 –3.06 –1.90    
G11 –5.35 –6.73 –6.79  
T12 –14.47 –10.70 –10.00  
T13       –2.81
A14       –10.38
G15       –12.28
G16       –5.37
G17 –3.18 –11.68 –3.37  
T18   –4.72 –12.02 –1.32
T19   –6.58   –6.85
A20   –7.68   –2.40
G21       –8.62
G22   –4.72    
G23 –3.96   –2.44  
T24 –11.16 –10.63 –3.48  
a

All energies are in kcal mol–1.